1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol

C15H14BrFO — CID 114346812

IUPAC1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1CC(O)c1ccccc1Br
InChIInChI=1S/C15H14BrFO/c1-10-8-12(17)7-6-11(10)9-15(18)13-4-2-3-5-14(13)16/h2-8,15,18H,9H2,1H3
InChIKeyLYKDAJXAGYFGHP-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.17
Rot. Bonds3

About 1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol

1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 114346812) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
PubChem CID114346812
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1CC(O)c1ccccc1Br
InChIInChI=1S/C15H14BrFO/c1-10-8-12(17)7-6-11(10)9-15(18)13-4-2-3-5-14(13)16/h2-8,15,18H,9H2,1H3
InChIKeyLYKDAJXAGYFGHP-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluoro-2-methylphenyl)-1-(2-methoxyphenyl)ethanol
CID 114346762
1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377688
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 81384034
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 107983845
1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346820
1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol
CID 106645063
1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050985
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol
CID 65148185
2-(4-fluoro-2-methylphenyl)-1-quinoxalin-5-ylethanol
CID 105131294
1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373786
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051201

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol (CID 114346812) is 1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1CC(O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is LYKDAJXAGYFGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-10-8-12(17)7-6-11(10)9-15(18)13-4-2-3-5-14(13)16/h2-8,15,18H,9H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol?
1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol has a molecular weight of 309.18 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 114346812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).